Information card for entry 7063014

Structure parameters

• Formula: C33 H35 Br4 Cd Cl2 N11 O6
• Calculated formula: C33 H33 Br4 Cd Cl2 N11 O6
• SMILES: Brc1cc(/C=N/[N]2=C(N[N]3=Cc4c(O[Cd]23(Cl)Cl)ccc(c4)Br)N)c(O)cc1.Brc1cc(/C=N/NC(=[NH2+])N/N=C/c2c(O)ccc(Br)c2)c(O)cc1.O=CN(C)C.O
• Title of publication: An all-rounder aminoguanidine based ligand, its unusual anionic zinc(ii) and cadmium(ii) coordination complexes and their biological implications
• Authors of publication: Santu, Ansa; Hashim, K. K. Mohammed; Manoj, E.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 4496 - 4506
• a: 12.3459 ± 0.0007 Å
• b: 14.1549 ± 0.0009 Å
• c: 14.4164 ± 0.0009 Å
• α: 116.555 ± 0.002°
• β: 99.07 ± 0.002°
• γ: 94.806 ± 0.002°
• Cell volume: 2191.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No